[gmx-users] matrix overlap
David van der Spoel
spoel at xray.bmc.uu.se
Mon Dec 30 16:39:10 CET 2002
On Sun, 29 Dec 2002, Dmitry Kovalsky wrote:
>It is written in the manual that "A good way to check the relevance of the
>first few principal modes is to calculate the overlap of tha sampling between
>the first and second half of the simualtion".
>I'm wondering what is quantitative criterium of good overlap?
check recent artivcles by Berk Hess, you will find refs on the Groningen
MD group pages
>Ph.D. Student Dmitry Kovalsky
>Institute of Molecular Biology & Genetics
>150 Akad. Zabolotnogo Street,
>E-mail: dikov at imbg.org.ua
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